N-[(Z)-hept-4-enyl]-N',N'-dimethylpropane-1,3-diamine

C12H26N2 — CID 88890905

IUPACN-[(Z)-hept-4-enyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCC/C=C\CCCNCCCN(C)C
InChIInChI=1S/C12H26N2/c1-4-5-6-7-8-10-13-11-9-12-14(2)3/h5-6,13H,4,7-12H2,1-3H3/b6-5-
InChIKeyBZDWAWQQWLNJOO-WAYWQWQTSA-N
MW198.35 g/mol
LogP2.27
Rot. Bonds9

About N-[(Z)-hept-4-enyl]-N',N'-dimethylpropane-1,3-diamine

N-[(Z)-hept-4-enyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 88890905) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-[(Z)-hept-4-enyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(Z)-hept-4-enyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID88890905
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-[(Z)-hept-4-enyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCC/C=C\CCCNCCCN(C)C
InChIInChI=1S/C12H26N2/c1-4-5-6-7-8-10-13-11-9-12-14(2)3/h5-6,13H,4,7-12H2,1-3H3/b6-5-
InChIKeyBZDWAWQQWLNJOO-WAYWQWQTSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-propylhept-4-en-1-amine
CID 142957499
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
(9Z,12Z,15Z)-N-[3-(dimethylamino)propyl]octadeca-9,12,15-trienamide
CID 155472776
N',N'-dimethyl-N-tetradecylpropane-1,3-diamine
CID 15792997
N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride
CID 174617187
N-dodecyl-N',N'-dimethylpropane-1,3-diamine
CID 55195797
N-methylhept-4-en-1-amine
CID 122695118
N'-oct-5-enylhexane-1,6-diamine
CID 90705008
2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride
CID 21254466
N-[2-[1-methoxypropan-2-yl(methyl)amino]ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 62554848
N-ethyl-N'-hex-3-enylpentane-1,5-diamine
CID 123144490
N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane
CID 178117503

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-hept-4-enyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[(Z)-hept-4-enyl]-N',N'-dimethylpropane-1,3-diamine (CID 88890905) is N-[(Z)-hept-4-enyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[(Z)-hept-4-enyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[(Z)-hept-4-enyl]-N',N'-dimethylpropane-1,3-diamine is CC/C=C\CCCNCCCN(C)C.
What is the InChIKey of N-[(Z)-hept-4-enyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is BZDWAWQQWLNJOO-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-5-6-7-8-10-13-11-9-12-14(2)3/h5-6,13H,4,7-12H2,1-3H3/b6-5-.
What are the key properties of N-[(Z)-hept-4-enyl]-N',N'-dimethylpropane-1,3-diamine?
N-[(Z)-hept-4-enyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-hept-4-enyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 88890905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).